8722
 OpenBabel05082101102D

 25 22  0  0  0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
8722

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
54.3

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAABwAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAQAAAAAAAAAAAQCAAMAAAAEAAAAAAAAAAAAAAgAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_CAS_NAME>
zinc;N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;<I>N</I>,<I>N</I>-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_NAME>
zinc;N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;N,N-dimethylcarbamodithioate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
DUBNHZYBDBBJHD-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
303.917475

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H12N2S4Zn

>  <PUBCHEM_MOLECULAR_WEIGHT>
305.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]

>  <PUBCHEM_CACTVS_TPSA>
72.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.917475

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
